Two chloride ions and two N 4-acetylsulfadiazine molecules are coordinated to the metal center, each organic moiety being bonded to Cu(II) through a pyrimidinyl nitrogen atom. In this context, and as a part of our ongoing research on pyrazoles and their crystal structures, herein we report on the synthesis and crystal structure of the title compound.The X-ray structure of the complex dichlorobis( N-acetamide) of the antibacterial sulfadiazine as ligand, is reported. 3-5 Numerous compounds containing the pyrazole moiety exhibit a wide range of biological activities, such as anti-inflammatory, 6 antimicrobial, 7 and antiviral 8 properities. 1,2 Pyrazole derivatives are well known for analgesic, and antidiabetic activities. The pyrazole ring is widely found as the core structure in a large variety of compounds that possess important agrochemical and pharmaceutical activities. Being so composed and having pharmacological effects on humans, they are classified as alkaloids, although they are rare in nature. Pyrazole refers both to the class of simple aromatic ring organic compounds of the heterocyclic diazole series, characterized by a 5-membered ring structure composed of three carbon atoms and two nitrogen atoms in adjacent positions, and to the unsubstituted parent compound. The compound crystallizes in the orthorhombic crystal class in the space group F2 dd with cell parameters a = 6.1830(5)Å, b = 27.797(5)Å, c = 38.234(7) and Z = 16. The title compound, C 20H 16N 2S, was synthesized, and the structure was investigated by X-ray crystallography and characterised by NMR and IR spectroscopy. The structure has an intermolecular hydrogen bond of the type C-H…S, which helps to stabilize the crystal structure.
Both of the piperidine rings exhibit a chair conformation.
The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature, and refined by full-matrix least-squares procedures to a final R-value of 0.02 observed reflections. Each of the chelating ligands is bidentately coordinated to a cadmium atom, and forms a planar four-membered chelate ring However, a pair of tridentate bridging ligands combine two neigbouring cadmium atoms, forming extended eight-membered tricyclic moieties, whose geometry can be approximated by a ‘chair’ conformation.
The structure of the title compound features both bridging and chelating dithiocarbamate ligands, so that a tetragonal pyramidal S 5 coordination geometry results.
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